6-(hydroxymethyl)-5-methyl-7-oxidanylidene-3-(phenylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(hydroxymethyl)-5-methyl-7-oxidanylidene-3-(phenylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-benzylsulfanyl-6-(hydroxymethyl)-5-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(hydroxymethyl)-5-methyl-7-oxo-3-(phenylmethylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-benzylsulfanyl-6-(hydroxymethyl)-5-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(benzylthio)-7-keto-5-methyl-6-methylol-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(=C(N1C(=O)C2CO)C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

CC12CC(=C(N1C(=O)C2CO)C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C16H17NO4S/c1-16-7-12(22-9-10-5-3-2-4-6-10)13(15(20)21)17(16)14(19)11(16)8-18/h2-6,11,18H,7-9H2,1H3,(H,20,21)